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PubMed code 18182286

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transketolase


(Homo sapiens)
BDBM50373874
PNG
(CHEMBL257085)
Show SMILES Cc1c(CCO)n[nH]c1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N5O/c1-7-10(3-4-18)16-17-11(7)5-9-6-14-8(2)15-12(9)13/h6,18H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373885
PNG
(CHEMBL255550)
Show SMILES CC(C)c1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C15H21N3OS/c1-9(2)15-17-7-11(14(16)18-15)6-12-8-20-13(4-5-19)10(12)3/h7-9,19H,4-6H2,1-3H3,(H2,16,17,18)
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n/an/an/a 64n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373887
PNG
(CHEMBL257253)
Show SMILES Cc1c(Cc2cnc(C)nc2N)nn(C)c1CCO
Show InChI InChI=1S/C13H19N5O/c1-8-11(17-18(3)12(8)4-5-19)6-10-7-15-9(2)16-13(10)14/h7,19H,4-6H2,1-3H3,(H2,14,15,16)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373882
PNG
(CHEMBL255138)
Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)
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n/an/an/a 3n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373878
PNG
(CHEMBL403021)
Show SMILES Cc1c(CCO[P@](O)(=O)OP(O)(O)=O)sc(=O)n1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)
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n/an/an/a 16n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373879
PNG
(CHEMBL430409)
Show SMILES Cc1c(CCOP(C)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C13H20N4O6P2S/c1-9-12(4-5-22-24(3,18)23-25(19,20)21)26-8-17(9)7-11-6-15-10(2)16-13(11)14/h6,8H,4-5,7H2,1-3H3,(H3-,14,15,16,19,20,21)/p+1
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n/an/an/a 170n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373881
PNG
(CHEMBL257285)
Show SMILES Cc1c(Cc2cncnc2N)csc1CCO
Show InChI InChI=1S/C12H15N3OS/c1-8-10(6-17-11(8)2-3-16)4-9-5-14-7-15-12(9)13/h5-7,16H,2-4H2,1H3,(H2,13,14,15)
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n/an/an/an/a 5.20E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373877
PNG
(Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
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n/an/an/a 6.80E+6n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373880
PNG
(CHEMBL402764)
Show SMILES Cc1c(CCO)sc(=O)n1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H17N3O2S/c1-8-3-4-10(12(14)15-8)7-16-9(2)11(5-6-17)19-13(16)18/h3-4,17H,5-7H2,1-2H3,(H2,14,15)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373882
PNG
(CHEMBL255138)
Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373882
PNG
(CHEMBL255138)
Show SMILES CC(=O)Nc1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C14H18N4O2S/c1-8-11(7-21-12(8)3-4-19)5-10-6-16-14(17-9(2)20)18-13(10)15/h6-7,19H,3-5H2,1-2H3,(H3,15,16,17,18,20)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373884
PNG
(CHEMBL255548)
Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO
Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373881
PNG
(CHEMBL257285)
Show SMILES Cc1c(Cc2cncnc2N)csc1CCO
Show InChI InChI=1S/C12H15N3OS/c1-8-10(6-17-11(8)2-3-16)4-9-5-14-7-15-12(9)13/h5-7,16H,2-4H2,1H3,(H2,13,14,15)
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n/an/an/a>1.00E+5n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373883
PNG
(CHEMBL255345)
Show SMILES Cc1c(Cc2cnc(N)nc2N)csc1CCO
Show InChI InChI=1S/C12H16N4OS/c1-7-9(6-18-10(7)2-3-17)4-8-5-15-12(14)16-11(8)13/h5-6,17H,2-4H2,1H3,(H4,13,14,15,16)
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n/an/an/a 2.20E+3n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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n/an/an/a 1.80E+4n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373875
PNG
(CHEMBL401572)
Show SMILES Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO
Show InChI InChI=1S/C13H14F3N3OS/c1-7-9(6-21-10(7)2-3-20)4-8-5-18-12(13(14,15)16)19-11(8)17/h5-6,20H,2-4H2,1H3,(H2,17,18,19)
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n/an/an/an/a 2.50E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373888
PNG
(CHEMBL257254)
Show SMILES Cc1c(CCO)nn(C)c1Cc1cnc(C)nc1N
Show InChI InChI=1S/C13H19N5O/c1-8-11(4-5-19)17-18(3)12(8)6-10-7-15-9(2)16-13(10)14/h7,19H,4-6H2,1-3H3,(H2,14,15,16)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373873
PNG
(CHEMBL256177)
Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO
Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)
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n/an/an/an/a 660n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373876
PNG
(CHEMBL256803)
Show SMILES Cc1c(CCO)sc(=O)n1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
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n/an/an/a 3.40E+4n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373873
PNG
(CHEMBL256177)
Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO
Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373884
PNG
(CHEMBL255548)
Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO
Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)
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n/an/an/a 230n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373873
PNG
(CHEMBL256177)
Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO
Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)
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n/an/an/a 60n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373884
PNG
(CHEMBL255548)
Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO
Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373885
PNG
(CHEMBL255550)
Show SMILES CC(C)c1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C15H21N3OS/c1-9(2)15-17-7-11(14(16)18-15)6-12-8-20-13(4-5-19)10(12)3/h7-9,19H,4-6H2,1-3H3,(H2,16,17,18)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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n/an/an/a 12n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373876
PNG
(CHEMBL256803)
Show SMILES Cc1c(CCO)sc(=O)n1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
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n/an/an/an/a 2.71E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373880
PNG
(CHEMBL402764)
Show SMILES Cc1c(CCO)sc(=O)n1Cc1ccc(C)nc1N
Show InChI InChI=1S/C13H17N3O2S/c1-8-3-4-10(12(14)15-8)7-16-9(2)11(5-6-17)19-13(16)18/h3-4,17H,5-7H2,1-2H3,(H2,14,15)
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n/an/an/an/a 3.24E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373885
PNG
(CHEMBL255550)
Show SMILES CC(C)c1ncc(Cc2csc(CCO)c2C)c(N)n1
Show InChI InChI=1S/C15H21N3OS/c1-9(2)15-17-7-11(14(16)18-15)6-12-8-20-13(4-5-19)10(12)3/h7-9,19H,4-6H2,1-3H3,(H2,16,17,18)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373883
PNG
(CHEMBL255345)
Show SMILES Cc1c(Cc2cnc(N)nc2N)csc1CCO
Show InChI InChI=1S/C12H16N4OS/c1-7-9(6-18-10(7)2-3-17)4-8-5-15-12(14)16-11(8)13/h5-6,17H,2-4H2,1H3,(H4,13,14,15,16)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase in human HCT116 cells


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens)
BDBM50373875
PNG
(CHEMBL401572)
Show SMILES Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO
Show InChI InChI=1S/C13H14F3N3OS/c1-7-9(6-21-10(7)2-3-20)4-8-5-18-12(13(14,15)16)19-11(8)17/h5-6,20H,2-4H2,1H3,(H2,17,18,19)
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n/an/an/a 63n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%